emmet.core.featurization.robocrys.describe.adapter
This module implements a class to resolve the symbolic references in condensed structure data.
Classes
ComponentDetails(formula, count, dimensionality, molecule_name, orientation, nsites, index) |
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ComponentGroup(formula, dimensionality, count, components, molecule_name, nsites) |
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Class to facilitate pulling data from the condensed structure dictionary. |
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NeighborSiteDetails(element, count, sites, sym_label) |
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NextNeighborSiteDetails(element, count, geometry, sites, sym_label, connectivity, poly_formula) |
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SiteGroup(element, count, sites) |
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bool(x) -> bool |